Chemical Properties of 3-Methoxybutanal

InChI

InChI=1S/C5H10O2/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3

InChI Key

VVXNMKJDQVBOLT-UHFFFAOYSA-N

Formula

C5H10O2

SMILES

COC(C)CC=O

Molecular Weight¹

102.13

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	8.66	kJ/mol	Joback Calculated Property
ΔvapH°	40.54	kJ/mol	Relay (1.0) Calculated Property
IE	9.67	eV	Relay (1.0) Calculated Property
logPoct/wat	0.610		Crippen Calculated Property
McVol	88.750	ml/mol	McGowan Calculated Property
Inp	[716.00; 724.00]
Inp	716.00		NIST
Inp	724.00		NIST
Inp	716.00		NIST
Tboil	388.69	K	Relay (1.0) Calculated Property
Tfus	200.15	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.55; 287.10]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.35610e+01
Coefficient B			3.96040e-01
Coefficient C			-1.33400e-04
Coefficient D			-9.10000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.55	J/mol×K	273.00	Calculated Property
Cp,gas	156.57	J/mol×K	353.78	Calculated Property
Cp,gas	179.72	J/mol×K	434.56	Calculated Property
Cp,gas	200.98	J/mol×K	515.33	Calculated Property
Cp,gas	220.31	J/mol×K	596.11	Calculated Property
Cp,gas	237.69	J/mol×K	676.89	Calculated Property
Cp,gas	253.09	J/mol×K	757.67	Calculated Property
Cp,gas	266.48	J/mol×K	838.44	Calculated Property
Cp,gas	277.82	J/mol×K	919.22	Calculated Property
Cp,gas	287.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048899; 0.0002628]	Pa×s	[195.34; 393.58]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.11247e+01
Coefficient B			1.13378e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			195.34
Temperature range, max.			393.58
η	0.0048899	Pa×s	195.34	Calculated Property
η	0.0027156	Pa×s	217.37	Calculated Property
η	0.0016805	Pa×s	239.39	Calculated Property
η	0.0011275	Pa×s	261.42	Calculated Property
η	0.0008049	Pa×s	283.45	Calculated Property
η	0.0006032	Pa×s	305.48	Calculated Property
η	0.0004700	Pa×s	327.50	Calculated Property
η	0.0003779	Pa×s	349.53	Calculated Property
η	0.0003118	Pa×s	371.56	Calculated Property
η	0.0002628	Pa×s	393.58	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methoxybutanal.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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